Related papers: Current-Voltage Curves for Molecular Junctions Com…
Calculations of the lowest valence {\pi}* as well as the 3s and higher energy 3p{\sigma} Rydberg excited states of the CO2 molecule are carried out using density functionals with variational optimization of the orbitals, an approach…
The current-voltage p-n junction characteristics were mainly analyzed until now at low injection levels and high level injection separately. This work unifies the low injection, medium injection, high injection levels and the ohmic region…
We theoretically propose a multidimensional high-harmonic echo spectroscopy technique which utilizes strong optical fields to resolve coherent electron dynamics spanning an energy range of multiple electron Volts. Using our recently…
A model for the current-voltage characteristic of the junction between an Ion-Sensitive-Membrane and an electrolyte solution is derived and compared with numerical simulations of the Poisson-Nernst-Planck model for ion transport. The…
We study the electrostatic potential of a molecular wire bridging two metallic electrodes in the limit of weak contacts. With the use of a tight-binding model including a fully three-dimensional treatment of the electrostatics of the…
The creation of plasma is key for achieving fusion in Inertial Electrostatic Confinement (IEC) fusion devices, and the conditions for such electrical breakdown are modelled by Paschen's law, which predicts the breakdown voltage of a system…
Defect-assisted recombination processes are critical to understand, as they frequently limit photovoltaic (PV) device performance. However, the physical parameters governing these processes can be extremely challenging to measure, requiring…
Energy-changing electron-hydrogen atom collisions are crucial to regulating the energy balance in astrophysical and laboratory plasmas and relevant to the formation of stellar atmospheres, recombination in H-II clouds, primordial…
We describe the computer codes, developed at Vilnius University, for the calculation of electron-impact excitation cross sections, collision strengths, and excitation rates in the plane-wave Born approximation. These codes utilize the…
We implement and benchmark the frozen core approximation, a technique commonly adopted in electronic structure theory to reduce the computational cost by means of mathematically fixing the chemically inactive core electron states. The…
We discuss the feasibility of the embedded cluster approach for it ab-initio calculations of charge exchange between ions and a LiF surface. We show that the discrete density of valence states in embedded clusters converges towards the…
In this paper, firstly we study the continuity of the core-EP inverse without explicit error bounds by virtue of two methods. One is the rank equality, followed from the classical generalized inverse. The other one is matrix decomposition.…
We use time-resolved charge detection techniques to investigate single-electron tunneling in semiconductor quantum dots. The ability to detect individual charges in real-time makes it possible to count electrons one-by-one as they pass…
We present an approach which allows the consistent treatment of bound states in the context of the dc conductivity in dense partially ionized noble gas plasmas. Besides electron-ion and electron-electron collisions, further collision…
We have carried out calculations of electron transport through a metal-molecule-metal junction with metal nanoclusters taking the part of electrodes. We show that negative differential resistance peaks could appear in the current-voltage…
Encoding quantum information in continuous variables (CV)---as the quadrature of electromagnetic fields---is a powerful approach to quantum information science and technology. CV entanglement---light beams in Einstein-Podolsky-Rosen (EPR)…
We study the three terminal S-QD-S-QD-S Josephson junction biased with commensurate voltages. In the absence of an applied voltage, the Andreev bound states on each quantum dot hybridize forming an `Andreev molecule'. However, understanding…
The current-current correlation function is a useful concept in the theory of electron transport in homogeneous solids. The finite-temperature conductivity tensor as well as Anderson's localization length can be computed entirely from this…
In this article we present a novel semi-analytical approach to calculate first-order electron-vibration coupling constants within the framework of density functional theory. It combines analytical expressions for the first-order derivative…
In bulk systems, molecules are routinely identified by their vibrational spectrum using Raman or infrared spectroscopy. In recent years, vibrational excitation lines have been observed in low-temperature conductance measurements on single…